4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide

C20H28N2O3 — CID 75473207

IUPAC4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide
SMILESCC(=O)N1CCOCC1C(=O)NCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C20H28N2O3/c1-16(23)22-11-12-25-14-18(22)19(24)21-15-20(9-5-6-10-20)13-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-15H2,1H3,(H,21,24)
InChIKeyBZQLEZGCTPQBDQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.15
Rot. Bonds5

About 4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide

4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide (PubChem CID 75473207) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide
PubChem CID75473207
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide
SMILESCC(=O)N1CCOCC1C(=O)NCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C20H28N2O3/c1-16(23)22-11-12-25-14-18(22)19(24)21-15-20(9-5-6-10-20)13-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-15H2,1H3,(H,21,24)
InChIKeyBZQLEZGCTPQBDQ-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977496
2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977084
4-(2-amino-2-phenylacetyl)-N-ethylmorpholine-3-carboxamide
CID 83098419
2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide
CID 75499278
1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea
CID 84597592
(3S)-4-acetyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]morpholine-3-carboxamide
CID 97250004
N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
CID 110010083
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 83103065
N-ethyl-4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83101765
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 97223869

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide?
The IUPAC name of 4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide (CID 75473207) is 4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide is CC(=O)N1CCOCC1C(=O)NCC1(Cc2ccccc2)CCCC1.
What is the InChIKey of 4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide?
The InChIKey is BZQLEZGCTPQBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-16(23)22-11-12-25-14-18(22)19(24)21-15-20(9-5-6-10-20)13-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-15H2,1H3,(H,21,24).
What are the key properties of 4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide?
4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1-benzylcyclopentyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 75473207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).